UCSF

ZINC43984600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 4.53 -35.73 2 3 1 29 225.356 2
Mid Mid (pH 6-8) 1.74 6.09 -110.47 3 3 2 30 226.364 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )